Information card for entry 4068558

Structure parameters

• Formula: C38 H42 B2 F8 N6 Rh2
• Calculated formula: C38 H42 B2 F8 N6 Rh2
• SMILES: [B](F)(F)(F)[F-].[CH]12=[CH]3[Rh]452([N]#Cc2ccccc2N2C(N(C=C2)C)=[Rh]267([CH]8=[CH]2CC[CH]6=[CH]7CC8)[N]#Cc2ccccc2N2C=5N(C=C2)C)[CH](CC3)=[CH]4CC1.[B](F)(F)(F)[F-]
• Title of publication: Synthesis and Characterization of Nitrile-Functionalized N-Heterocyclic Carbenes and Their Complexes of Silver(I) and Rhodium(I)
• Authors of publication: O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 853
• a: 25.3729 ± 0.0003 Å
• b: 30.2083 ± 0.0007 Å
• c: 9.914 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7598.8 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No